Organic and organometallic derivatives of dihydrogen-encapsulated [60]fullerene

Regioselective multi-addition reaction of organocopper and amine compounds onto dihydrogen-encapsulated 60]fullerene, H2@C60, produced a variety of organic and organometallic derivatives of H2@C60. The X-ray crystallographic analysis of dihydrogen-encapsulated bucky ferrocene, Fe(H2@C60Ph5)C5H5, showed the presence of the dihydrogen molecule located almost in the center but slightly away from the ferrocene moiety. The 1H NMR chemical shift values for the encapsulated molecular hydrogen indicated that these values are susceptible to the magnetic environment of the inside as well as the outside of the fullerene cage.